Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1)
TL;DR: Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1) (CAS 13624-14-1) is a chemical compound with molecular formula C15H17NO3S and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethenyl-1-methylpyridin-1-ium;4-methylbenzenesulfonate
Also Known As: N-Methyl-2-vinylpyridinium p-toluenesulfonate, Pyridinium, 2-ethenyl-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:1), 2-ethenyl-1-methylpyridinium 4-methylbenzenesulfonate, 2-ETHENYL-1-METHYLPYRIDIN-1-IUM TOSYLATE, 2-ethenyl-1-methylpyridin-1-ium;4-methylbenzenesulfonate
| Molecular Formula | C15H17NO3S |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 2.05 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.09293 |
| Heavy Atoms | 20 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 13624-14-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1C=C |
| InChIKey | OGNHTEFUCYVGFW-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1) (CAS 13624-14-1), with molecular formula C15H17NO3S and molecular weight 291.09 g/mol. IUPAC: 2-ethenyl-1-methylpyridin-1-ium;4-methylbenzenesulfonate.
Chemical Property Profile of Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1)
Property Insights of Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1)
The XLogP value of 2.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1). The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1)?
The CAS number of Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1) is 13624-14-1.
What is the molecular formula of Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1)?
The molecular formula of Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1) is C15H17NO3S.
What is the molecular weight of Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1)?
The molecular weight of Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1) is 291.09 g/mol.
Where can I buy Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1)?
You can request a quote for Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 2-ethenyl-1-methyl-, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.